The effect of the hydrogen fluoride chain on the aromaticity of C6H6 in the C6H6···(HF)1–4 complexes

The effect of the hydrogen fluoride chain ((HF)_n) on the aromaticity and π character of C–C bonds of C₆H₆ in the C₆H₆···(HF)_n (n = 1–4) complexes were investigated using density functional theory employing RM05 functional. It was found that the binding energy between C₆H₆ and different (HF)_n chains showed a maximum at n = 3 (C₆H₆···(HF)₃). Also, the π–hydrogen interaction (πHI) and the bifurcated fluorine interaction (BFI) increased and decreased the π character of the C–C bond of C₆H₆, respectively. In addition, the change of aromaticity of the C₆H₆ due to the interaction with the HF chains was also studied using three different aspects such as aromatic fluctuation index (FLU), average two centre index (ATI) and proton nuclear magnetic resonance (HNMR) spectrum. The most change in the aromaticity happens when the C₆H₆ interacts with (HF)₃ chain. The variation of aromaticity with the binding energy and the summation of two-body terms were investigated and very good linear correlations were observed.     

Synthesis,crystal structure,cholinesterase inhibitory activity,evaluation of insecticidal activities,and computational studies of new phosphonic acids

Molecular Diversity - In an attempt to obtain the modified and novel insecticides with low human toxicity, a series of novel mono-, bis-, and tetraphosphonic acid derivatives were designed and...     

Facile Synthesis and Characterization of Monocrystalline Cubic ZrO2.12 Nanoparticles

Non-stoichiometric zirconium oxide nanocrystals with the formula of ZrO_2.12 and diameters less than 10 nm were synthesized in the course of calcination of a dried solution of zirconium(IV) oxy nitrate in the presence of citric acid at 600 °C for 5 h. Crystallite size of product was increased to 20 nm when starch was used as emulsifier. Effect of the organic additive, which was equal of moles of the nitrate ions of the zirconium precursor, was investigated on phase formation, morphology and particle size of products. Samples were characterized by FT-IR, TG/DTA, SEM and TEM analysis. Phase structure of samples were also analysed by the powder X-ray diffraction.     

Development and evaluation of a novel nucleic acid sequence-based amplification method using one specific primer and one degenerate primer for simultaneous detection of Salmonella Enteritidis and Salmonella Typhimurium

Salmonella Enteritidis and Salmonella Typhimurium are the most widespread causes of salmonellosis and gastrointestinal diseases worldwide. Thus, their simple and sensitive detection is significantly important in biosafety and point-of-care diagnostics. In that regard, although present nucleic acid-based attempts are mainly focused on the detection methods encompassing all Salmonella enterica members in a single reaction, serotypes other than S. Enteritidis and S. Typhimurium are clinically and epidemiologically rare to humans. Therefore, regarding high ribosomal RNA (rRNA) copy numbers in a cell, isothermal nucleic acid sequence-based amplification (NASBA) technique was employed for simple, sensitive and simultaneous detection of the bacteria. However, due to high sequence homology among 16S rRNA genes and consequently, very few specific regions, we developed a novel NASBA method called “single specific primer-NASBA or SSP-NASBA” in which the specificity of the antisense primer is sufficient to perform a specific NASBA reaction. Accordingly, we designed highly specific NASBA antisense and degenerate sense primers for a segment of 16S rRNA variable region by universal sequence alignment to simultaneously detect S. Enteritidis and S. Typhimurium. Meanwhile, the approach was successfully evaluated for various Salmonella as well as closely related non-Salmonella serovars. Specific and simultaneous detection of both bacteria was achieved with the designed primer set in a single reaction environment with a detection limit of less than 10 CFUs mL⁻¹. The developed NASBA assay should facilitate the overall process and provide a simple, fast, specific and sensitive approach for molecular diagnostics of pathogens under various circumstances, e.g. outbreaks.     

Three-Component Reaction of Triphenylphosphine,Dialkyl Acetylenedicarboxylate,and 2-Aminothiazole or 2-Aminobenzothiazole in the Presence of Arylglyoxals: An Efficient One-Pot Synthesis of Highly Functionalized Pyrroles

A new and efficient one-pot synthesis of polysubstituted pyrrole derivatives by three-component reaction of dialkyl acetylenedicarboxylates, triphenylphosphine, 2-aminothiazole or 2-aminobenzothiazole in the presence of arylglyoxals is described. The reactions were performed in dichloromethane at room temperature and neutral conditions and afforded good yields of products.     

An interesting route using electron-beam lithography and photolithography to pattern submicron interdigitated electrodes array for sensing applications

Journal of the Iranian Chemical Society - Increasing the interest in the silicon-based devices resulted in developing new methods and techniques to achieve advanced and more reliable designs and...     

Semi‐Interpenetrated Hydrogels‐Microfibers Electroactive Assemblies for Release and Real‐Time Monitoring of Drugs

Simultaneous drug release and monitoring using a single polymeric platform represents a significant advance in the utilization of biomaterials for therapeutic use. Tracking drug release by real‐time electrochemical detection using the same platform is a simple way to guide the dosage of the drug, improve the desired therapeutic effect, and reduce the adverse side effects. The platform developed in this work takes advantage of the flexibility and loading capacity of hydrogels, the mechanical strength of microfibers, and the capacity of conducting polymers to detect the redox properties of drugs. The engineered platform is prepared by assembling two spin‐coated layers of poly‐γ‐glutamic acid hydrogel, loaded with poly(3,4‐ethylenedioxythiophene) (PEDOT) microparticles, and separated by a electrospun layer of poly‐ε‐caprolactone microfibers. Loaded PEDOT microparticles are used as reaction nuclei for the polymerization of poly(hydroxymethyl‐3,4‐ethylenedioxythiophene) (PHMeDOT), that semi‐interpenetrate the whole three layered system while forming a dense network of electrical conduction paths. After demonstrating its properties, the platform is loaded with levofloxacin and its release monitored externally by UV–vis spectroscopy and in situ by using the PHMeDOT network. In situ real‐time electrochemical monitoring of the drug release from the engineered platform holds great promise for the development of multi‐functional devices for advanced biomedical applications.     

Electrochemical and theoretical study of novel functional porous graphene aerogel-supported Sm2O3 nanoparticles for supercapacitor applications

Journal of Solid State Electrochemistry - A graphene aerogel cross-linked by p-phenylenediamine (PPDA) composite with Sm2O3 nanoparticles (AP.Sm) was synthesized as a novel nanocomposite via a...     

Electrochemical Energy Storage Electrodes via Citrus Fruits Derived Carbon: A Minireview

This review investigates the synthesis and electrochemical performance of the electrode of the electrochemical energy storage (EES) devices obtained from peels and scraps of the citrus fruits. The EES devices include batteries, supercapacitors, and hybrid systems that have considerable value and various applications. The electrode is considered as the most important part of all EES devices. Tremendous efforts have been done to enhance the electrochemical energy storage electrode (EESE). The citrus fruits abundance leads to a decrease in their price and makes possible to use them as ingredients to fabricate EESE. Also, the electrochemical analyses determined that citrus fruits have considerable potential to use as the EESE. Using citrus fruits peels and scraps as biomass substances to prepare EESE leads to the electrodes which have low cost, environmentally friendly and appropriate electrochemical applications.